SCHEMBL11066972

SCHEMBL11066972

CC(C)C(C(=O)OCc1cccc(Oc2ccccc2)n1)N(C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
MMP16 P51512 1/20 0.35
ADAM17 P78536 1/20 0.35
ADAMTS4 O75173 1/20 0.35
TRPV3 Q8NET8 1/20 0.35
KCNH2 Q12809 1/20 0.35
P2RX3 P56373 4/20 0.34
NPY5R Q15761 2/20 0.33
ACHE P22303 1/20 0.33
EPOR P19235 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11071446 0.91 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2MMP1
SCHEMBL11064779 0.84 EPOR (0.34) ALDH1A1MEN1KMT2ASMN1; SMN2MMP1
SCHEMBL11062094 0.81 KCNH2 (0.38) ALDH1A1ADAMTS4TRPV3KCNH2P2RX3
SCHEMBL11065707 0.78 ADAMTS4 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2MMP9
SCHEMBL11275809 0.78 ALDH1A1 (0.47) ALDH1A1KCNH2HSD17B14PPARG
SCHEMBL11478773 0.77 ADAMTS4 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2MMP9
SCHEMBL11391609 0.77 L3MBTL1 (0.36) ALDH1A1SMN1; SMN2TRPV3KCNH2P2RX3
SCHEMBL11391608 0.77 L3MBTL1 (0.36) ALDH1A1SMN1; SMN2TRPV3KCNH2P2RX3
SCHEMBL11072017 0.76 ADAMTS4 (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2MMP9
SCHEMBL11460618 0.76 ALOX5 (0.40) LMNACYSLTR2CYSLTR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4447613-A Pyridyl esters and thiolesters of aminoalkanoic acids ZOECON CORPORATION (US) 1984-05-08 US disclosed
US-4269981-A Certain pyridylmethyl esters of formamido-lower-alkanoates and derivatives thereof ZOECON CORPORATION (US) 1981-05-26 US disclosed
US-4247701-A Certain pesticidal substituted amino lower-alkanoates or lower-alkano-thioates containing pyridyl in the ester portion ZOECON CORPORATION (US) 1981-01-27 US disclosed